SCHEMBL24287269

SCHEMBL24287269

Cc1ccccc1Oc1nc(NSc2cnn(C)c2)nc2c1CC(C)(C)CC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24287460 0.83 EEF2K (0.32) —
SCHEMBL24287499 0.82 — —
SCHEMBL29516324 0.80 HTR1A (0.36) ACHE
SCHEMBL26813338 0.80 HTR1A (0.36) ACHE
SCHEMBL24309830 0.75 IGF1R (0.32) —
SCHEMBL29516391 0.75 HTR1A (0.36) ACHE
SCHEMBL24287273 0.75 HTR1A (0.36) ACHE
SCHEMBL24287267 0.74 TP53 (0.40) ACHE
SCHEMBL24309901 0.74 IGF1R (0.33) —
SCHEMBL24309917 0.74 MAPK14 (0.33) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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